Geometry & MOs

Info

ID:	260440
PubChem CID:	103191448
Reduced:	BrON2C16H27 (1)
Stoich.:	ABC2D16E27 (1)
Weight, g/mol:	290.247047
ΔH_f, kcal/mol:	-38.37
Dipole, Da:	1.69
IP(EA), eV:	-8.61(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[5-[(cyclopropylamino)methyl]-2-methylpyridin-4-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

Drug info:

PubChemData

Smile

CCN(CCC(C1=CC(=CC=C1)Br)O)C(C)CN(C)C

DOS

IR

Vibrations